Record number :
1369571
Title of article :
Neutral heteroleptic rhenium-based M3L3L′ type metallacycles: Synthesis, structural characterization and DFT/TDDFT studies
Author/Authors :
Bhaskaran Shankar، نويسنده , , Palani Elumalai، نويسنده , , Ramasamy Shanmugam، نويسنده , , Malaichamy Sathiyendiran، نويسنده ,
Issue Information :
دوفصلنامه با شماره پیاپی سال 2014
Pages :
9
From page :
224
To page :
232
Abstract :
Three new M3L3L′-type metallacycles (2–4) based of fac-Re(CO)3 core (M), three rigid anionic ditopic bridging ligands (L = imidazolate for 2; benzimidazolate for 3; benzotriazolate for 4), and flexible tripodal N-donors (L′ = 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene for 2 and 3; 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene for 4) have been synthesized and structurally characterized by elemental analysis, FT-IR, and 1H NMR spectroscopy. The structure of metallacycle 4 was confirmed by single crystal X-ray diffraction analysis. The crystal structure of 1·DMSO (1 = M3L3L′; L = benzimidazolate, and L′ = 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene) was discussed. The absorption and emission properties of complexes have been investigated and were assigned using time-dependent density functional theory calculations.
Keywords :
Tripodal N donor , Benzimidazole , Benzotriazole , Rhenium
Journal title :
Journal of Organometallic Chemistry
Serial Year :
2014
Link To Document :
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